CID 22725241

3-(1-benzofuran-2-carbonyl)pyridine

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C14H9NO2/c16-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-9H
InChIKey
DOLCUKYSDPPKSM-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.070596 145.6
[M+Na]+ 246.052538 155.7
[M-H]- 222.056044 153.4
[M+NH4]+ 241.097143 163.8
[M+K]+ 262.026478 152.9
[M+H-H2O]+ 206.060580 138.2
[M+HCOO]- 268.061521 169.5
[M+CH3COO]- 282.077171 159.8
[M+Na-2H]- 244.037986 153.8
[M]+ 223.06277142 148.7
[M]- 223.06386858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.